USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 59 LYS NZ :NH3+ -158:sc= 0.199 (180deg=-0.518) USER MOD Single : A 64 ASN : amide:sc= 0.0769 K(o=0.077,f=-3.9!) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc=-0.00113 (180deg=-0.0908) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -72:sc= 1.18 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 92:sc= 1.21 USER MOD Single : A 95 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.394) USER MOD Single : A 99 SER OG : rot -84:sc= 0.13 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00134) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 87 N GLU A 53 -1.033 -14.225 -5.881 1.00 0.00 N ATOM 88 CA GLU A 53 -2.085 -13.640 -5.069 1.00 0.00 C ATOM 89 C GLU A 53 -1.498 -13.061 -3.778 1.00 0.00 C ATOM 90 O GLU A 53 -1.146 -13.804 -2.863 1.00 0.00 O ATOM 91 CB GLU A 53 -3.177 -14.667 -4.761 1.00 0.00 C ATOM 92 CG GLU A 53 -3.962 -15.025 -6.025 1.00 0.00 C ATOM 93 CD GLU A 53 -4.818 -16.274 -5.801 1.00 0.00 C ATOM 94 OE1 GLU A 53 -5.691 -16.211 -4.907 1.00 0.00 O ATOM 95 OE2 GLU A 53 -4.582 -17.263 -6.528 1.00 0.00 O ATOM 0 HA GLU A 53 -2.544 -12.829 -5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.728 -15.566 -4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.856 -14.267 -4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.600 -14.189 -6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.271 -15.196 -6.851 1.00 0.00 H new ATOM 102 N PHE A 54 -1.412 -11.739 -3.747 1.00 0.00 N ATOM 103 CA PHE A 54 -0.871 -11.052 -2.587 1.00 0.00 C ATOM 104 C PHE A 54 -1.598 -9.726 -2.347 1.00 0.00 C ATOM 105 O PHE A 54 -1.895 -8.997 -3.291 1.00 0.00 O ATOM 106 CB PHE A 54 0.602 -10.766 -2.883 1.00 0.00 C ATOM 107 CG PHE A 54 1.494 -12.008 -2.859 1.00 0.00 C ATOM 108 CD1 PHE A 54 1.630 -12.770 -3.976 1.00 0.00 C ATOM 109 CD2 PHE A 54 2.151 -12.352 -1.718 1.00 0.00 C ATOM 110 CE1 PHE A 54 2.459 -13.922 -3.954 1.00 0.00 C ATOM 111 CE2 PHE A 54 2.979 -13.505 -1.694 1.00 0.00 C ATOM 112 CZ PHE A 54 3.115 -14.266 -2.814 1.00 0.00 C ATOM 0 H PHE A 54 -1.708 -11.126 -4.507 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.994 -11.670 -1.697 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.680 -10.294 -3.862 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.976 -10.048 -2.153 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.107 -12.499 -4.881 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.042 -11.747 -0.830 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.569 -14.525 -4.843 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.500 -13.778 -0.788 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.744 -15.144 -2.797 1.00 0.00 H new ATOM 122 N ASP A 55 -1.862 -9.455 -1.076 1.00 0.00 N ATOM 123 CA ASP A 55 -2.554 -8.233 -0.701 1.00 0.00 C ATOM 124 C ASP A 55 -1.562 -7.272 -0.044 1.00 0.00 C ATOM 125 O ASP A 55 -0.770 -7.676 0.807 1.00 0.00 O ATOM 126 CB ASP A 55 -3.669 -8.520 0.306 1.00 0.00 C ATOM 127 CG ASP A 55 -4.819 -9.376 -0.232 1.00 0.00 C ATOM 128 OD1 ASP A 55 -4.542 -10.203 -1.125 1.00 0.00 O ATOM 129 OD2 ASP A 55 -5.951 -9.183 0.266 1.00 0.00 O ATOM 0 H ASP A 55 -1.609 -10.060 -0.294 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.984 -7.798 -1.603 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.236 -9.021 1.172 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.075 -7.571 0.657 1.00 0.00 H new ATOM 134 N VAL A 56 -1.635 -6.018 -0.465 1.00 0.00 N ATOM 135 CA VAL A 56 -0.748 -4.998 0.067 1.00 0.00 C ATOM 136 C VAL A 56 -1.545 -4.056 0.972 1.00 0.00 C ATOM 137 O VAL A 56 -2.393 -3.301 0.496 1.00 0.00 O ATOM 138 CB VAL A 56 -0.044 -4.269 -1.080 1.00 0.00 C ATOM 139 CG1 VAL A 56 0.756 -3.073 -0.560 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.852 -5.227 -1.868 1.00 0.00 C ATOM 0 H VAL A 56 -2.295 -5.685 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 56 0.033 -5.451 0.677 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.809 -3.891 -1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.246 -2.573 -1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.084 -2.374 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.509 -3.419 0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.341 -4.685 -2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.608 -5.647 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.246 -6.032 -2.284 1.00 0.00 H new ATOM 150 N ILE A 57 -1.245 -4.130 2.260 1.00 0.00 N ATOM 151 CA ILE A 57 -1.906 -3.277 3.233 1.00 0.00 C ATOM 152 C ILE A 57 -0.928 -2.204 3.713 1.00 0.00 C ATOM 153 O ILE A 57 0.277 -2.442 3.780 1.00 0.00 O ATOM 154 CB ILE A 57 -2.500 -4.118 4.365 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.690 -4.943 3.871 1.00 0.00 C ATOM 156 CG2 ILE A 57 -2.869 -3.241 5.564 1.00 0.00 C ATOM 157 CD1 ILE A 57 -3.667 -6.351 4.468 1.00 0.00 C ATOM 0 H ILE A 57 -0.553 -4.768 2.653 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.748 -2.758 2.775 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.739 -4.822 4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.620 -4.444 4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.667 -5.005 2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.289 -3.863 6.354 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.976 -2.737 5.935 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.605 -2.497 5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.524 -6.916 4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.746 -6.856 4.175 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.714 -6.286 5.555 1.00 0.00 H new ATOM 169 N LEU A 58 -1.483 -1.043 4.032 1.00 0.00 N ATOM 170 CA LEU A 58 -0.682 0.049 4.561 1.00 0.00 C ATOM 171 C LEU A 58 -0.921 0.168 6.066 1.00 0.00 C ATOM 172 O LEU A 58 -2.020 0.513 6.499 1.00 0.00 O ATOM 173 CB LEU A 58 -0.962 1.339 3.788 1.00 0.00 C ATOM 174 CG LEU A 58 -0.140 2.561 4.203 1.00 0.00 C ATOM 175 CD1 LEU A 58 -0.704 3.194 5.477 1.00 0.00 C ATOM 176 CD2 LEU A 58 1.340 2.202 4.349 1.00 0.00 C ATOM 0 H LEU A 58 -2.477 -0.835 3.934 1.00 0.00 H new ATOM 0 HA LEU A 58 0.380 -0.154 4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.786 1.150 2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.019 1.583 3.897 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.214 3.307 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.102 4.060 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.733 3.508 5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.680 2.465 6.287 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.902 3.088 4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.454 1.430 5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.720 1.832 3.397 1.00 0.00 H new ATOM 188 N LYS A 59 0.126 -0.124 6.824 1.00 0.00 N ATOM 189 CA LYS A 59 0.017 -0.143 8.274 1.00 0.00 C ATOM 190 C LYS A 59 0.284 1.262 8.818 1.00 0.00 C ATOM 191 O LYS A 59 -0.560 1.836 9.505 1.00 0.00 O ATOM 192 CB LYS A 59 0.936 -1.216 8.864 1.00 0.00 C ATOM 193 CG LYS A 59 0.227 -2.570 8.923 1.00 0.00 C ATOM 194 CD LYS A 59 0.969 -3.537 9.848 1.00 0.00 C ATOM 195 CE LYS A 59 0.040 -4.073 10.940 1.00 0.00 C ATOM 196 NZ LYS A 59 -0.889 -5.081 10.381 1.00 0.00 N ATOM 0 H LYS A 59 1.053 -0.349 6.462 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.993 -0.417 8.579 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.839 -1.300 8.259 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.250 -0.921 9.865 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.795 -2.434 9.277 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.164 -2.995 7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.369 -4.367 9.266 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.818 -3.029 10.305 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.630 -4.518 11.741 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.526 -3.252 11.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.725 -5.161 10.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.185 -4.789 9.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.410 -6.003 10.327 1.00 0.00 H new ATOM 210 N ALA A 60 1.462 1.776 8.492 1.00 0.00 N ATOM 211 CA ALA A 60 1.870 3.080 8.984 1.00 0.00 C ATOM 212 C ALA A 60 2.577 3.845 7.863 1.00 0.00 C ATOM 213 O ALA A 60 3.525 3.340 7.265 1.00 0.00 O ATOM 214 CB ALA A 60 2.757 2.906 10.219 1.00 0.00 C ATOM 0 H ALA A 60 2.146 1.313 7.894 1.00 0.00 H new ATOM 0 HA ALA A 60 1.001 3.665 9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.063 3.885 10.588 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.200 2.383 10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.641 2.326 9.953 1.00 0.00 H new ATOM 220 N ALA A 61 2.087 5.050 7.612 1.00 0.00 N ATOM 221 CA ALA A 61 2.683 5.904 6.597 1.00 0.00 C ATOM 222 C ALA A 61 4.102 6.284 7.027 1.00 0.00 C ATOM 223 O ALA A 61 4.949 6.581 6.185 1.00 0.00 O ATOM 224 CB ALA A 61 1.794 7.130 6.377 1.00 0.00 C ATOM 0 H ALA A 61 1.284 5.456 8.093 1.00 0.00 H new ATOM 0 HA ALA A 61 2.756 5.377 5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.240 7.771 5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.806 6.809 6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.702 7.685 7.311 1.00 0.00 H new ATOM 230 N GLY A 62 4.318 6.257 8.333 1.00 0.00 N ATOM 231 CA GLY A 62 5.611 6.627 8.885 1.00 0.00 C ATOM 232 C GLY A 62 5.805 8.145 8.858 1.00 0.00 C ATOM 233 O GLY A 62 4.833 8.898 8.827 1.00 0.00 O ATOM 0 H GLY A 62 3.620 5.985 9.026 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.690 6.265 9.910 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.405 6.145 8.315 1.00 0.00 H new ATOM 237 N ALA A 63 7.067 8.548 8.872 1.00 0.00 N ATOM 238 CA ALA A 63 7.400 9.961 8.883 1.00 0.00 C ATOM 239 C ALA A 63 7.549 10.458 7.443 1.00 0.00 C ATOM 240 O ALA A 63 8.426 11.269 7.150 1.00 0.00 O ATOM 241 CB ALA A 63 8.670 10.181 9.709 1.00 0.00 C ATOM 0 H ALA A 63 7.871 7.920 8.876 1.00 0.00 H new ATOM 0 HA ALA A 63 6.602 10.538 9.350 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.920 11.242 9.717 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.503 9.840 10.731 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.493 9.618 9.268 1.00 0.00 H new ATOM 247 N ASN A 64 6.678 9.949 6.583 1.00 0.00 N ATOM 248 CA ASN A 64 6.704 10.328 5.181 1.00 0.00 C ATOM 249 C ASN A 64 5.296 10.194 4.596 1.00 0.00 C ATOM 250 O ASN A 64 5.099 9.498 3.600 1.00 0.00 O ATOM 251 CB ASN A 64 7.638 9.418 4.380 1.00 0.00 C ATOM 252 CG ASN A 64 8.225 10.156 3.175 1.00 0.00 C ATOM 253 OD1 ASN A 64 7.640 11.083 2.638 1.00 0.00 O ATOM 254 ND2 ASN A 64 9.408 9.697 2.784 1.00 0.00 N ATOM 0 H ASN A 64 5.951 9.278 6.830 1.00 0.00 H new ATOM 0 HA ASN A 64 7.061 11.356 5.116 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.445 9.064 5.022 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.091 8.538 4.041 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.883 10.124 1.989 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.841 8.917 3.279 1.00 0.00 H new ATOM 261 N LYS A 65 4.356 10.871 5.237 1.00 0.00 N ATOM 262 CA LYS A 65 2.970 10.819 4.806 1.00 0.00 C ATOM 263 C LYS A 65 2.870 11.331 3.367 1.00 0.00 C ATOM 264 O LYS A 65 1.992 10.909 2.615 1.00 0.00 O ATOM 265 CB LYS A 65 2.073 11.573 5.789 1.00 0.00 C ATOM 266 CG LYS A 65 0.726 10.866 5.955 1.00 0.00 C ATOM 267 CD LYS A 65 -0.227 11.699 6.817 1.00 0.00 C ATOM 268 CE LYS A 65 -0.050 11.371 8.301 1.00 0.00 C ATOM 269 NZ LYS A 65 -0.676 10.069 8.624 1.00 0.00 N ATOM 0 H LYS A 65 4.527 11.459 6.053 1.00 0.00 H new ATOM 0 HA LYS A 65 2.610 9.790 4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.570 11.648 6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.912 12.591 5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.279 10.692 4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.878 9.889 6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.041 12.760 6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.257 11.505 6.518 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.011 11.342 8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.498 12.157 8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.790 9.985 9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.608 10.009 8.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.071 9.297 8.278 1.00 0.00 H new ATOM 283 N VAL A 66 3.780 12.231 3.027 1.00 0.00 N ATOM 284 CA VAL A 66 3.769 12.847 1.711 1.00 0.00 C ATOM 285 C VAL A 66 4.024 11.776 0.649 1.00 0.00 C ATOM 286 O VAL A 66 3.187 11.551 -0.224 1.00 0.00 O ATOM 287 CB VAL A 66 4.784 13.991 1.661 1.00 0.00 C ATOM 288 CG1 VAL A 66 4.965 14.501 0.230 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.375 15.128 2.601 1.00 0.00 C ATOM 0 H VAL A 66 4.531 12.549 3.640 1.00 0.00 H new ATOM 0 HA VAL A 66 2.793 13.286 1.503 1.00 0.00 H new ATOM 0 HB VAL A 66 5.744 13.603 2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.691 15.314 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.322 13.689 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.010 14.864 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.113 15.928 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.400 15.513 2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.321 14.753 3.623 1.00 0.00 H new ATOM 299 N ALA A 67 5.184 11.145 0.757 1.00 0.00 N ATOM 300 CA ALA A 67 5.575 10.128 -0.205 1.00 0.00 C ATOM 301 C ALA A 67 4.485 9.058 -0.283 1.00 0.00 C ATOM 302 O ALA A 67 4.130 8.605 -1.369 1.00 0.00 O ATOM 303 CB ALA A 67 6.935 9.547 0.190 1.00 0.00 C ATOM 0 H ALA A 67 5.866 11.318 1.496 1.00 0.00 H new ATOM 0 HA ALA A 67 5.682 10.562 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.228 8.784 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.681 10.342 0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.866 9.101 1.182 1.00 0.00 H new ATOM 309 N VAL A 68 3.982 8.686 0.886 1.00 0.00 N ATOM 310 CA VAL A 68 2.955 7.661 0.966 1.00 0.00 C ATOM 311 C VAL A 68 1.752 8.084 0.122 1.00 0.00 C ATOM 312 O VAL A 68 1.383 7.395 -0.829 1.00 0.00 O ATOM 313 CB VAL A 68 2.594 7.395 2.429 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.354 6.506 2.535 1.00 0.00 C ATOM 315 CG2 VAL A 68 3.776 6.779 3.182 1.00 0.00 C ATOM 0 H VAL A 68 4.267 9.076 1.784 1.00 0.00 H new ATOM 0 HA VAL A 68 3.323 6.719 0.559 1.00 0.00 H new ATOM 0 HB VAL A 68 2.361 8.352 2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.119 6.333 3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.511 6.999 2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.547 5.552 2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.493 6.600 4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.054 5.835 2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.624 7.463 3.150 1.00 0.00 H new ATOM 325 N ILE A 69 1.172 9.214 0.498 1.00 0.00 N ATOM 326 CA ILE A 69 -0.020 9.705 -0.173 1.00 0.00 C ATOM 327 C ILE A 69 0.211 9.690 -1.686 1.00 0.00 C ATOM 328 O ILE A 69 -0.706 9.404 -2.454 1.00 0.00 O ATOM 329 CB ILE A 69 -0.416 11.078 0.374 1.00 0.00 C ATOM 330 CG1 ILE A 69 -1.052 10.951 1.759 1.00 0.00 C ATOM 331 CG2 ILE A 69 -1.325 11.818 -0.609 1.00 0.00 C ATOM 332 CD1 ILE A 69 -0.996 12.283 2.512 1.00 0.00 C ATOM 0 H ILE A 69 1.506 9.805 1.260 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.868 9.051 0.029 1.00 0.00 H new ATOM 0 HB ILE A 69 0.488 11.676 0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.088 10.629 1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.533 10.183 2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.592 12.791 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.802 11.956 -1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.230 11.235 -0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.455 12.166 3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.043 12.590 2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.536 13.043 1.948 1.00 0.00 H new ATOM 344 N LYS A 70 1.440 10.002 -2.069 1.00 0.00 N ATOM 345 CA LYS A 70 1.802 10.029 -3.475 1.00 0.00 C ATOM 346 C LYS A 70 1.712 8.614 -4.050 1.00 0.00 C ATOM 347 O LYS A 70 1.032 8.388 -5.051 1.00 0.00 O ATOM 348 CB LYS A 70 3.172 10.681 -3.663 1.00 0.00 C ATOM 349 CG LYS A 70 3.076 12.204 -3.548 1.00 0.00 C ATOM 350 CD LYS A 70 4.460 12.851 -3.644 1.00 0.00 C ATOM 351 CE LYS A 70 4.353 14.377 -3.626 1.00 0.00 C ATOM 352 NZ LYS A 70 5.680 14.992 -3.859 1.00 0.00 N ATOM 0 H LYS A 70 2.198 10.238 -1.429 1.00 0.00 H new ATOM 0 HA LYS A 70 1.100 10.646 -4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.866 10.299 -2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.576 10.411 -4.639 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.434 12.592 -4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.611 12.472 -2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.080 12.516 -2.813 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.954 12.528 -4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.653 14.708 -4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.955 14.708 -2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.590 16.028 -3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.338 14.691 -3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.045 14.690 -4.785 1.00 0.00 H new ATOM 366 N ALA A 71 2.404 7.696 -3.391 1.00 0.00 N ATOM 367 CA ALA A 71 2.416 6.310 -3.828 1.00 0.00 C ATOM 368 C ALA A 71 0.977 5.806 -3.945 1.00 0.00 C ATOM 369 O ALA A 71 0.633 5.116 -4.904 1.00 0.00 O ATOM 370 CB ALA A 71 3.250 5.477 -2.853 1.00 0.00 C ATOM 0 H ALA A 71 2.961 7.885 -2.557 1.00 0.00 H new ATOM 0 HA ALA A 71 2.877 6.219 -4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.260 4.437 -3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.270 5.859 -2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.815 5.540 -1.856 1.00 0.00 H new ATOM 376 N VAL A 72 0.174 6.169 -2.956 1.00 0.00 N ATOM 377 CA VAL A 72 -1.216 5.743 -2.925 1.00 0.00 C ATOM 378 C VAL A 72 -1.924 6.240 -4.187 1.00 0.00 C ATOM 379 O VAL A 72 -2.260 5.449 -5.067 1.00 0.00 O ATOM 380 CB VAL A 72 -1.883 6.226 -1.635 1.00 0.00 C ATOM 381 CG1 VAL A 72 -3.392 5.978 -1.673 1.00 0.00 C ATOM 382 CG2 VAL A 72 -1.249 5.567 -0.409 1.00 0.00 C ATOM 0 H VAL A 72 0.459 6.753 -2.170 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.283 4.655 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.722 7.301 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.842 6.330 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.828 6.516 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.583 4.911 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.742 5.928 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.364 4.485 -0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.189 5.818 -0.369 1.00 0.00 H new ATOM 392 N ARG A 73 -2.128 7.548 -4.237 1.00 0.00 N ATOM 393 CA ARG A 73 -2.815 8.156 -5.362 1.00 0.00 C ATOM 394 C ARG A 73 -2.241 7.632 -6.681 1.00 0.00 C ATOM 395 O ARG A 73 -2.965 7.488 -7.664 1.00 0.00 O ATOM 396 CB ARG A 73 -2.687 9.681 -5.329 1.00 0.00 C ATOM 397 CG ARG A 73 -4.065 10.346 -5.322 1.00 0.00 C ATOM 398 CD ARG A 73 -3.936 11.870 -5.364 1.00 0.00 C ATOM 399 NE ARG A 73 -3.521 12.307 -6.715 1.00 0.00 N ATOM 400 CZ ARG A 73 -3.276 13.580 -7.051 1.00 0.00 C ATOM 401 NH1 ARG A 73 -3.436 14.555 -6.146 1.00 0.00 N ATOM 402 NH2 ARG A 73 -2.874 13.880 -8.294 1.00 0.00 N ATOM 0 H ARG A 73 -1.829 8.204 -3.515 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.869 7.890 -5.288 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.129 9.984 -4.443 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.119 10.021 -6.195 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.643 10.002 -6.180 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.613 10.048 -4.428 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.888 12.331 -5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.206 12.202 -4.626 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.415 11.594 -7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.745 14.328 -5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.249 15.524 -6.402 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.755 13.139 -8.984 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.688 14.850 -8.550 1.00 0.00 H new ATOM 416 N GLY A 74 -0.944 7.361 -6.658 1.00 0.00 N ATOM 417 CA GLY A 74 -0.253 6.906 -7.852 1.00 0.00 C ATOM 418 C GLY A 74 -0.637 5.464 -8.191 1.00 0.00 C ATOM 419 O GLY A 74 -0.713 5.096 -9.363 1.00 0.00 O ATOM 0 H GLY A 74 -0.354 7.448 -5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.499 7.558 -8.690 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.824 6.973 -7.701 1.00 0.00 H new ATOM 423 N ALA A 75 -0.870 4.685 -7.144 1.00 0.00 N ATOM 424 CA ALA A 75 -1.170 3.274 -7.312 1.00 0.00 C ATOM 425 C ALA A 75 -2.668 3.104 -7.570 1.00 0.00 C ATOM 426 O ALA A 75 -3.095 2.100 -8.139 1.00 0.00 O ATOM 427 CB ALA A 75 -0.698 2.500 -6.080 1.00 0.00 C ATOM 0 H ALA A 75 -0.857 5.005 -6.176 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.639 2.868 -8.173 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.924 1.441 -6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.377 2.630 -5.959 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.211 2.877 -5.195 1.00 0.00 H new ATOM 433 N THR A 76 -3.427 4.101 -7.139 1.00 0.00 N ATOM 434 CA THR A 76 -4.874 4.050 -7.269 1.00 0.00 C ATOM 435 C THR A 76 -5.369 5.197 -8.150 1.00 0.00 C ATOM 436 O THR A 76 -5.713 4.988 -9.313 1.00 0.00 O ATOM 437 CB THR A 76 -5.476 4.062 -5.862 1.00 0.00 C ATOM 438 OG1 THR A 76 -5.046 5.303 -5.309 1.00 0.00 O ATOM 439 CG2 THR A 76 -4.847 3.007 -4.948 1.00 0.00 C ATOM 0 H THR A 76 -3.068 4.948 -6.700 1.00 0.00 H new ATOM 0 HA THR A 76 -5.195 3.135 -7.768 1.00 0.00 H new ATOM 0 HB THR A 76 -6.551 3.893 -5.926 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.088 5.257 -5.108 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.309 3.058 -3.962 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.006 2.016 -5.373 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.777 3.195 -4.857 1.00 0.00 H new ATOM 447 N GLY A 77 -5.391 6.386 -7.565 1.00 0.00 N ATOM 448 CA GLY A 77 -5.875 7.560 -8.270 1.00 0.00 C ATOM 449 C GLY A 77 -7.108 8.145 -7.579 1.00 0.00 C ATOM 450 O GLY A 77 -7.885 8.870 -8.197 1.00 0.00 O ATOM 0 H GLY A 77 -5.081 6.561 -6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.087 8.312 -8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.121 7.295 -9.298 1.00 0.00 H new ATOM 454 N LEU A 78 -7.248 7.808 -6.305 1.00 0.00 N ATOM 455 CA LEU A 78 -8.357 8.315 -5.514 1.00 0.00 C ATOM 456 C LEU A 78 -8.162 9.813 -5.270 1.00 0.00 C ATOM 457 O LEU A 78 -7.035 10.306 -5.287 1.00 0.00 O ATOM 458 CB LEU A 78 -8.518 7.499 -4.230 1.00 0.00 C ATOM 459 CG LEU A 78 -8.992 6.054 -4.408 1.00 0.00 C ATOM 460 CD1 LEU A 78 -8.841 5.263 -3.108 1.00 0.00 C ATOM 461 CD2 LEU A 78 -10.424 6.011 -4.944 1.00 0.00 C ATOM 0 H LEU A 78 -6.612 7.190 -5.801 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.295 8.199 -6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.560 7.485 -3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.226 8.015 -3.581 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.355 5.574 -5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.185 4.240 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.793 5.252 -2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.437 5.732 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.737 4.974 -5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.090 6.514 -4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.466 6.515 -5.910 1.00 0.00 H new ATOM 473 N GLY A 79 -9.276 10.494 -5.048 1.00 0.00 N ATOM 474 CA GLY A 79 -9.240 11.920 -4.772 1.00 0.00 C ATOM 475 C GLY A 79 -8.285 12.231 -3.618 1.00 0.00 C ATOM 476 O GLY A 79 -8.178 11.454 -2.670 1.00 0.00 O ATOM 0 H GLY A 79 -10.210 10.084 -5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.924 12.459 -5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.242 12.272 -4.525 1.00 0.00 H new ATOM 480 N LEU A 80 -7.615 13.368 -3.735 1.00 0.00 N ATOM 481 CA LEU A 80 -6.664 13.785 -2.720 1.00 0.00 C ATOM 482 C LEU A 80 -7.234 13.471 -1.335 1.00 0.00 C ATOM 483 O LEU A 80 -6.545 12.895 -0.493 1.00 0.00 O ATOM 484 CB LEU A 80 -6.287 15.256 -2.911 1.00 0.00 C ATOM 485 CG LEU A 80 -4.912 15.669 -2.385 1.00 0.00 C ATOM 486 CD1 LEU A 80 -4.347 16.842 -3.189 1.00 0.00 C ATOM 487 CD2 LEU A 80 -4.965 15.975 -0.887 1.00 0.00 C ATOM 0 H LEU A 80 -7.712 14.014 -4.518 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.733 13.226 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.331 15.487 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.042 15.871 -2.420 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.231 14.829 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.369 17.116 -2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.248 16.552 -4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.021 17.695 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.974 16.266 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.666 16.790 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.293 15.088 -0.346 1.00 0.00 H new ATOM 499 N LYS A 81 -8.484 13.863 -1.141 1.00 0.00 N ATOM 500 CA LYS A 81 -9.147 13.648 0.133 1.00 0.00 C ATOM 501 C LYS A 81 -9.189 12.150 0.437 1.00 0.00 C ATOM 502 O LYS A 81 -8.553 11.687 1.382 1.00 0.00 O ATOM 503 CB LYS A 81 -10.525 14.316 0.141 1.00 0.00 C ATOM 504 CG LYS A 81 -11.149 14.270 1.536 1.00 0.00 C ATOM 505 CD LYS A 81 -12.650 14.559 1.476 1.00 0.00 C ATOM 506 CE LYS A 81 -13.296 14.402 2.854 1.00 0.00 C ATOM 507 NZ LYS A 81 -13.908 15.678 3.287 1.00 0.00 N ATOM 0 H LYS A 81 -9.056 14.329 -1.846 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.584 14.121 0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.433 15.352 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.180 13.814 -0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.982 13.289 1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.660 15.000 2.181 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.814 15.571 1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.126 13.881 0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.055 13.621 2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.547 14.086 3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.342 15.554 4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.175 16.414 3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.637 15.963 2.603 1.00 0.00 H new ATOM 521 N GLU A 82 -9.944 11.434 -0.382 1.00 0.00 N ATOM 522 CA GLU A 82 -10.121 10.005 -0.180 1.00 0.00 C ATOM 523 C GLU A 82 -8.794 9.357 0.216 1.00 0.00 C ATOM 524 O GLU A 82 -8.737 8.587 1.175 1.00 0.00 O ATOM 525 CB GLU A 82 -10.702 9.343 -1.431 1.00 0.00 C ATOM 526 CG GLU A 82 -12.199 9.640 -1.564 1.00 0.00 C ATOM 527 CD GLU A 82 -12.999 8.923 -0.475 1.00 0.00 C ATOM 528 OE1 GLU A 82 -12.712 7.727 -0.255 1.00 0.00 O ATOM 529 OE2 GLU A 82 -13.881 9.587 0.111 1.00 0.00 O ATOM 0 H GLU A 82 -10.441 11.816 -1.187 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.832 9.858 0.633 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.176 9.703 -2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.544 8.266 -1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.368 10.715 -1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.550 9.324 -2.546 1.00 0.00 H new ATOM 536 N ALA A 83 -7.759 9.690 -0.540 1.00 0.00 N ATOM 537 CA ALA A 83 -6.447 9.109 -0.313 1.00 0.00 C ATOM 538 C ALA A 83 -5.965 9.482 1.091 1.00 0.00 C ATOM 539 O ALA A 83 -5.492 8.627 1.837 1.00 0.00 O ATOM 540 CB ALA A 83 -5.483 9.579 -1.404 1.00 0.00 C ATOM 0 H ALA A 83 -7.802 10.356 -1.312 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.495 8.021 -0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.499 9.143 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.855 9.264 -2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.407 10.666 -1.379 1.00 0.00 H new ATOM 546 N LYS A 84 -6.103 10.761 1.408 1.00 0.00 N ATOM 547 CA LYS A 84 -5.674 11.261 2.704 1.00 0.00 C ATOM 548 C LYS A 84 -6.389 10.480 3.809 1.00 0.00 C ATOM 549 O LYS A 84 -5.745 9.925 4.697 1.00 0.00 O ATOM 550 CB LYS A 84 -5.878 12.774 2.788 1.00 0.00 C ATOM 551 CG LYS A 84 -5.222 13.348 4.046 1.00 0.00 C ATOM 552 CD LYS A 84 -4.955 14.846 3.892 1.00 0.00 C ATOM 553 CE LYS A 84 -4.535 15.468 5.225 1.00 0.00 C ATOM 554 NZ LYS A 84 -4.170 16.891 5.040 1.00 0.00 N ATOM 0 H LYS A 84 -6.506 11.466 0.790 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.605 11.099 2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.456 13.251 1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.944 13.001 2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.868 13.177 4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.285 12.827 4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.173 15.005 3.150 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.852 15.343 3.521 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.350 15.386 5.944 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.688 14.920 5.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.887 17.299 5.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.378 16.962 4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.988 17.413 4.666 1.00 0.00 H new ATOM 568 N ASP A 85 -7.711 10.465 3.717 1.00 0.00 N ATOM 569 CA ASP A 85 -8.522 9.787 4.714 1.00 0.00 C ATOM 570 C ASP A 85 -8.030 8.347 4.874 1.00 0.00 C ATOM 571 O ASP A 85 -7.893 7.855 5.993 1.00 0.00 O ATOM 572 CB ASP A 85 -9.990 9.741 4.290 1.00 0.00 C ATOM 573 CG ASP A 85 -10.644 11.105 4.066 1.00 0.00 C ATOM 574 OD1 ASP A 85 -10.295 12.032 4.828 1.00 0.00 O ATOM 575 OD2 ASP A 85 -11.476 11.191 3.139 1.00 0.00 O ATOM 0 H ASP A 85 -8.240 10.911 2.968 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.434 10.337 5.651 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.068 9.162 3.370 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.556 9.205 5.052 1.00 0.00 H new ATOM 580 N LEU A 86 -7.775 7.714 3.739 1.00 0.00 N ATOM 581 CA LEU A 86 -7.356 6.322 3.737 1.00 0.00 C ATOM 582 C LEU A 86 -6.138 6.159 4.649 1.00 0.00 C ATOM 583 O LEU A 86 -6.145 5.329 5.556 1.00 0.00 O ATOM 584 CB LEU A 86 -7.120 5.836 2.306 1.00 0.00 C ATOM 585 CG LEU A 86 -6.751 4.360 2.150 1.00 0.00 C ATOM 586 CD1 LEU A 86 -7.418 3.754 0.914 1.00 0.00 C ATOM 587 CD2 LEU A 86 -5.233 4.172 2.133 1.00 0.00 C ATOM 0 H LEU A 86 -7.850 8.138 2.815 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.145 5.687 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.022 6.027 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.324 6.437 1.866 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.132 3.821 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.138 2.704 0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.501 3.834 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.091 4.291 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.999 3.113 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.807 4.728 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.810 4.540 3.068 1.00 0.00 H new ATOM 599 N VAL A 87 -5.123 6.966 4.378 1.00 0.00 N ATOM 600 CA VAL A 87 -3.883 6.885 5.129 1.00 0.00 C ATOM 601 C VAL A 87 -4.173 7.119 6.613 1.00 0.00 C ATOM 602 O VAL A 87 -3.632 6.426 7.472 1.00 0.00 O ATOM 603 CB VAL A 87 -2.860 7.869 4.557 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.556 7.831 5.356 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.603 7.594 3.074 1.00 0.00 C ATOM 0 H VAL A 87 -5.134 7.679 3.649 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.445 5.891 5.037 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.277 8.872 4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.847 8.539 4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.757 8.100 6.393 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.134 6.827 5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.872 8.308 2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.218 6.581 2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.535 7.697 2.518 1.00 0.00 H new ATOM 615 N GLU A 88 -5.027 8.100 6.867 1.00 0.00 N ATOM 616 CA GLU A 88 -5.343 8.481 8.233 1.00 0.00 C ATOM 617 C GLU A 88 -6.284 7.454 8.867 1.00 0.00 C ATOM 618 O GLU A 88 -6.566 7.520 10.062 1.00 0.00 O ATOM 619 CB GLU A 88 -5.950 9.885 8.285 1.00 0.00 C ATOM 620 CG GLU A 88 -4.859 10.947 8.426 1.00 0.00 C ATOM 621 CD GLU A 88 -5.046 12.066 7.397 1.00 0.00 C ATOM 622 OE1 GLU A 88 -6.165 12.620 7.359 1.00 0.00 O ATOM 623 OE2 GLU A 88 -4.065 12.339 6.672 1.00 0.00 O ATOM 0 H GLU A 88 -5.509 8.642 6.150 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.417 8.500 8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.528 10.069 7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.642 9.955 9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.882 11.366 9.432 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.880 10.487 8.294 1.00 0.00 H new ATOM 630 N SER A 89 -6.742 6.528 8.038 1.00 0.00 N ATOM 631 CA SER A 89 -7.648 5.491 8.501 1.00 0.00 C ATOM 632 C SER A 89 -6.919 4.148 8.567 1.00 0.00 C ATOM 633 O SER A 89 -7.552 3.096 8.626 1.00 0.00 O ATOM 634 CB SER A 89 -8.875 5.386 7.593 1.00 0.00 C ATOM 635 OG SER A 89 -9.627 6.596 7.567 1.00 0.00 O ATOM 0 H SER A 89 -6.503 6.474 7.048 1.00 0.00 H new ATOM 0 HA SER A 89 -7.991 5.759 9.500 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.556 5.136 6.581 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.512 4.571 7.937 1.00 0.00 H new ATOM 0 HG SER A 89 -9.312 7.161 6.831 1.00 0.00 H new ATOM 641 N ALA A 90 -5.597 4.229 8.554 1.00 0.00 N ATOM 642 CA ALA A 90 -4.773 3.034 8.629 1.00 0.00 C ATOM 643 C ALA A 90 -5.158 2.231 9.872 1.00 0.00 C ATOM 644 O ALA A 90 -5.587 2.801 10.875 1.00 0.00 O ATOM 645 CB ALA A 90 -3.296 3.430 8.624 1.00 0.00 C ATOM 0 H ALA A 90 -5.076 5.103 8.493 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.942 2.397 7.761 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.679 2.533 8.680 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.067 3.971 7.706 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.088 4.068 9.483 1.00 0.00 H new ATOM 651 N PRO A 91 -4.985 0.886 9.765 1.00 0.00 N ATOM 652 CA PRO A 91 -4.480 0.292 8.539 1.00 0.00 C ATOM 653 C PRO A 91 -5.558 0.277 7.453 1.00 0.00 C ATOM 654 O PRO A 91 -6.750 0.317 7.755 1.00 0.00 O ATOM 655 CB PRO A 91 -4.018 -1.099 8.938 1.00 0.00 C ATOM 656 CG PRO A 91 -4.704 -1.403 10.261 1.00 0.00 C ATOM 657 CD PRO A 91 -5.267 -0.100 10.805 1.00 0.00 C ATOM 0 HA PRO A 91 -3.658 0.860 8.103 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.290 -1.833 8.180 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.934 -1.135 9.043 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.501 -2.133 10.119 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.996 -1.837 10.967 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.337 -0.180 10.996 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.794 0.173 11.749 1.00 0.00 H new ATOM 665 N ALA A 92 -5.099 0.217 6.211 1.00 0.00 N ATOM 666 CA ALA A 92 -6.008 0.222 5.077 1.00 0.00 C ATOM 667 C ALA A 92 -5.399 -0.597 3.937 1.00 0.00 C ATOM 668 O ALA A 92 -4.202 -0.505 3.672 1.00 0.00 O ATOM 669 CB ALA A 92 -6.302 1.667 4.666 1.00 0.00 C ATOM 0 H ALA A 92 -4.110 0.165 5.965 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.958 -0.241 5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.984 1.672 3.815 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.760 2.197 5.501 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.372 2.163 4.388 1.00 0.00 H new ATOM 675 N ALA A 93 -6.252 -1.381 3.294 1.00 0.00 N ATOM 676 CA ALA A 93 -5.824 -2.179 2.157 1.00 0.00 C ATOM 677 C ALA A 93 -5.564 -1.259 0.964 1.00 0.00 C ATOM 678 O ALA A 93 -6.424 -0.463 0.589 1.00 0.00 O ATOM 679 CB ALA A 93 -6.880 -3.245 1.855 1.00 0.00 C ATOM 0 H ALA A 93 -7.237 -1.481 3.539 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.892 -2.699 2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.559 -3.844 1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.005 -3.890 2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.829 -2.762 1.623 1.00 0.00 H new ATOM 685 N LEU A 94 -4.373 -1.398 0.398 1.00 0.00 N ATOM 686 CA LEU A 94 -4.004 -0.617 -0.769 1.00 0.00 C ATOM 687 C LEU A 94 -4.347 -1.405 -2.034 1.00 0.00 C ATOM 688 O LEU A 94 -4.827 -0.834 -3.013 1.00 0.00 O ATOM 689 CB LEU A 94 -2.536 -0.194 -0.687 1.00 0.00 C ATOM 690 CG LEU A 94 -2.270 1.199 -0.112 1.00 0.00 C ATOM 691 CD1 LEU A 94 -0.768 1.453 0.036 1.00 0.00 C ATOM 692 CD2 LEU A 94 -2.953 2.279 -0.951 1.00 0.00 C ATOM 0 H LEU A 94 -3.652 -2.040 0.727 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.578 0.309 -0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.002 -0.924 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.109 -0.239 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.705 1.245 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.606 2.450 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.338 0.710 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.289 1.381 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.748 3.259 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.570 2.244 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.029 2.106 -0.961 1.00 0.00 H new ATOM 704 N LYS A 95 -4.087 -2.702 -1.975 1.00 0.00 N ATOM 705 CA LYS A 95 -4.360 -3.574 -3.105 1.00 0.00 C ATOM 706 C LYS A 95 -4.813 -4.941 -2.592 1.00 0.00 C ATOM 707 O LYS A 95 -4.388 -5.379 -1.524 1.00 0.00 O ATOM 708 CB LYS A 95 -3.148 -3.636 -4.036 1.00 0.00 C ATOM 709 CG LYS A 95 -2.270 -2.393 -3.878 1.00 0.00 C ATOM 710 CD LYS A 95 -1.023 -2.487 -4.759 1.00 0.00 C ATOM 711 CE LYS A 95 -1.206 -1.696 -6.056 1.00 0.00 C ATOM 712 NZ LYS A 95 -2.032 -2.460 -7.018 1.00 0.00 N ATOM 0 H LYS A 95 -3.690 -3.171 -1.161 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.176 -3.175 -3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.563 -4.529 -3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.483 -3.720 -5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.841 -1.504 -4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.975 -2.282 -2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.159 -2.105 -4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.816 -3.531 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.680 -0.738 -5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.233 -1.478 -6.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.926 -2.051 -7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.721 -3.452 -7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.031 -2.414 -6.731 1.00 0.00 H new ATOM 726 N GLU A 96 -5.669 -5.579 -3.377 1.00 0.00 N ATOM 727 CA GLU A 96 -6.195 -6.881 -3.009 1.00 0.00 C ATOM 728 C GLU A 96 -5.879 -7.909 -4.099 1.00 0.00 C ATOM 729 O GLU A 96 -6.147 -7.672 -5.276 1.00 0.00 O ATOM 730 CB GLU A 96 -7.700 -6.810 -2.741 1.00 0.00 C ATOM 731 CG GLU A 96 -8.009 -5.846 -1.595 1.00 0.00 C ATOM 732 CD GLU A 96 -9.490 -5.900 -1.217 1.00 0.00 C ATOM 733 OE1 GLU A 96 -10.311 -6.012 -2.152 1.00 0.00 O ATOM 734 OE2 GLU A 96 -9.768 -5.829 0.000 1.00 0.00 O ATOM 0 H GLU A 96 -6.011 -5.217 -4.267 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.710 -7.199 -2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.218 -6.486 -3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.076 -7.803 -2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.399 -6.099 -0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.741 -4.831 -1.887 1.00 0.00 H new ATOM 741 N GLY A 97 -5.316 -9.028 -3.668 1.00 0.00 N ATOM 742 CA GLY A 97 -4.977 -10.098 -4.589 1.00 0.00 C ATOM 743 C GLY A 97 -4.392 -9.540 -5.887 1.00 0.00 C ATOM 744 O GLY A 97 -5.079 -9.478 -6.907 1.00 0.00 O ATOM 0 H GLY A 97 -5.086 -9.216 -2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.258 -10.771 -4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.867 -10.687 -4.811 1.00 0.00 H new ATOM 748 N VAL A 98 -3.129 -9.146 -5.809 1.00 0.00 N ATOM 749 CA VAL A 98 -2.434 -8.623 -6.973 1.00 0.00 C ATOM 750 C VAL A 98 -1.159 -9.435 -7.209 1.00 0.00 C ATOM 751 O VAL A 98 -0.753 -10.221 -6.355 1.00 0.00 O ATOM 752 CB VAL A 98 -2.166 -7.127 -6.792 1.00 0.00 C ATOM 753 CG1 VAL A 98 -3.476 -6.339 -6.723 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.306 -6.871 -5.553 1.00 0.00 C ATOM 0 H VAL A 98 -2.569 -9.179 -4.957 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.052 -8.724 -7.865 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.611 -6.778 -7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.257 -5.279 -6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.037 -6.484 -7.646 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.069 -6.692 -5.879 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.130 -5.801 -5.447 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.823 -7.243 -4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.352 -7.387 -5.660 1.00 0.00 H new ATOM 764 N SER A 99 -0.564 -9.216 -8.373 1.00 0.00 N ATOM 765 CA SER A 99 0.650 -9.927 -8.737 1.00 0.00 C ATOM 766 C SER A 99 1.746 -9.652 -7.706 1.00 0.00 C ATOM 767 O SER A 99 1.881 -8.528 -7.223 1.00 0.00 O ATOM 768 CB SER A 99 1.123 -9.526 -10.135 1.00 0.00 C ATOM 769 OG SER A 99 1.473 -8.147 -10.207 1.00 0.00 O ATOM 0 H SER A 99 -0.900 -8.557 -9.075 1.00 0.00 H new ATOM 0 HA SER A 99 0.432 -10.995 -8.749 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.984 -10.133 -10.414 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.336 -9.738 -10.858 1.00 0.00 H new ATOM 0 HG SER A 99 0.667 -7.613 -10.366 1.00 0.00 H new ATOM 775 N LYS A 100 2.503 -10.695 -7.400 1.00 0.00 N ATOM 776 CA LYS A 100 3.580 -10.581 -6.432 1.00 0.00 C ATOM 777 C LYS A 100 4.528 -9.458 -6.859 1.00 0.00 C ATOM 778 O LYS A 100 4.949 -8.650 -6.034 1.00 0.00 O ATOM 779 CB LYS A 100 4.272 -11.932 -6.239 1.00 0.00 C ATOM 780 CG LYS A 100 5.201 -11.903 -5.024 1.00 0.00 C ATOM 781 CD LYS A 100 5.976 -13.216 -4.894 1.00 0.00 C ATOM 782 CE LYS A 100 6.897 -13.192 -3.672 1.00 0.00 C ATOM 783 NZ LYS A 100 7.550 -14.507 -3.490 1.00 0.00 N ATOM 0 H LYS A 100 2.392 -11.624 -7.806 1.00 0.00 H new ATOM 0 HA LYS A 100 3.185 -10.309 -5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.523 -12.713 -6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.844 -12.183 -7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.900 -11.072 -5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.617 -11.730 -4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.277 -14.048 -4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.566 -13.385 -5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.654 -12.417 -3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.323 -12.938 -2.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.171 -14.474 -2.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.824 -15.239 -3.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.114 -14.734 -4.334 1.00 0.00 H new ATOM 797 N ASP A 101 4.836 -9.447 -8.148 1.00 0.00 N ATOM 798 CA ASP A 101 5.773 -8.475 -8.683 1.00 0.00 C ATOM 799 C ASP A 101 5.299 -7.064 -8.326 1.00 0.00 C ATOM 800 O ASP A 101 6.109 -6.197 -8.002 1.00 0.00 O ATOM 801 CB ASP A 101 5.859 -8.573 -10.208 1.00 0.00 C ATOM 802 CG ASP A 101 6.414 -9.896 -10.740 1.00 0.00 C ATOM 803 OD1 ASP A 101 6.165 -10.925 -10.075 1.00 0.00 O ATOM 804 OD2 ASP A 101 7.075 -9.847 -11.800 1.00 0.00 O ATOM 0 H ASP A 101 4.453 -10.095 -8.836 1.00 0.00 H new ATOM 0 HA ASP A 101 6.753 -8.681 -8.253 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.863 -8.421 -10.624 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.485 -7.760 -10.575 1.00 0.00 H new ATOM 809 N ASP A 102 3.989 -6.879 -8.400 1.00 0.00 N ATOM 810 CA ASP A 102 3.400 -5.581 -8.120 1.00 0.00 C ATOM 811 C ASP A 102 3.440 -5.324 -6.611 1.00 0.00 C ATOM 812 O ASP A 102 3.594 -4.185 -6.175 1.00 0.00 O ATOM 813 CB ASP A 102 1.940 -5.529 -8.569 1.00 0.00 C ATOM 814 CG ASP A 102 1.731 -5.281 -10.065 1.00 0.00 C ATOM 815 OD1 ASP A 102 2.656 -4.706 -10.678 1.00 0.00 O ATOM 816 OD2 ASP A 102 0.654 -5.674 -10.561 1.00 0.00 O ATOM 0 H ASP A 102 3.319 -7.607 -8.650 1.00 0.00 H new ATOM 0 HA ASP A 102 3.970 -4.828 -8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.460 -6.470 -8.302 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.432 -4.742 -8.011 1.00 0.00 H new ATOM 821 N ALA A 103 3.297 -6.403 -5.856 1.00 0.00 N ATOM 822 CA ALA A 103 3.282 -6.304 -4.405 1.00 0.00 C ATOM 823 C ALA A 103 4.648 -5.819 -3.917 1.00 0.00 C ATOM 824 O ALA A 103 4.730 -4.882 -3.125 1.00 0.00 O ATOM 825 CB ALA A 103 2.896 -7.657 -3.805 1.00 0.00 C ATOM 0 H ALA A 103 3.191 -7.350 -6.220 1.00 0.00 H new ATOM 0 HA ALA A 103 2.538 -5.578 -4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.885 -7.583 -2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.906 -7.943 -4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.622 -8.411 -4.110 1.00 0.00 H new ATOM 831 N GLU A 104 5.686 -6.477 -4.411 1.00 0.00 N ATOM 832 CA GLU A 104 7.042 -6.159 -3.997 1.00 0.00 C ATOM 833 C GLU A 104 7.453 -4.788 -4.536 1.00 0.00 C ATOM 834 O GLU A 104 8.225 -4.073 -3.899 1.00 0.00 O ATOM 835 CB GLU A 104 8.022 -7.242 -4.449 1.00 0.00 C ATOM 836 CG GLU A 104 9.307 -7.200 -3.619 1.00 0.00 C ATOM 837 CD GLU A 104 10.414 -8.025 -4.279 1.00 0.00 C ATOM 838 OE1 GLU A 104 10.916 -7.565 -5.327 1.00 0.00 O ATOM 839 OE2 GLU A 104 10.732 -9.098 -3.720 1.00 0.00 O ATOM 0 H GLU A 104 5.615 -7.230 -5.095 1.00 0.00 H new ATOM 0 HA GLU A 104 7.069 -6.123 -2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.555 -8.222 -4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.261 -7.104 -5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.637 -6.167 -3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.110 -7.584 -2.618 1.00 0.00 H new ATOM 846 N ALA A 105 6.919 -4.462 -5.704 1.00 0.00 N ATOM 847 CA ALA A 105 7.228 -3.193 -6.341 1.00 0.00 C ATOM 848 C ALA A 105 6.724 -2.049 -5.458 1.00 0.00 C ATOM 849 O ALA A 105 7.461 -1.102 -5.181 1.00 0.00 O ATOM 850 CB ALA A 105 6.615 -3.162 -7.742 1.00 0.00 C ATOM 0 H ALA A 105 6.274 -5.055 -6.226 1.00 0.00 H new ATOM 0 HA ALA A 105 8.305 -3.072 -6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.847 -2.210 -8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.027 -3.977 -8.338 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.534 -3.277 -7.669 1.00 0.00 H new ATOM 856 N LEU A 106 5.473 -2.172 -5.041 1.00 0.00 N ATOM 857 CA LEU A 106 4.853 -1.144 -4.223 1.00 0.00 C ATOM 858 C LEU A 106 5.525 -1.117 -2.848 1.00 0.00 C ATOM 859 O LEU A 106 5.820 -0.046 -2.319 1.00 0.00 O ATOM 860 CB LEU A 106 3.338 -1.350 -4.162 1.00 0.00 C ATOM 861 CG LEU A 106 2.563 -0.373 -3.276 1.00 0.00 C ATOM 862 CD1 LEU A 106 2.891 -0.594 -1.799 1.00 0.00 C ATOM 863 CD2 LEU A 106 2.811 1.074 -3.709 1.00 0.00 C ATOM 0 H LEU A 106 4.872 -2.968 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 106 5.001 -0.161 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.941 -1.284 -5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.143 -2.363 -3.809 1.00 0.00 H new ATOM 0 HG LEU A 106 1.498 -0.569 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.327 0.113 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.622 -1.611 -1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.958 -0.442 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.249 1.748 -3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.875 1.300 -3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.487 1.206 -4.741 1.00 0.00 H new ATOM 875 N LYS A 107 5.746 -2.307 -2.310 1.00 0.00 N ATOM 876 CA LYS A 107 6.365 -2.432 -1.001 1.00 0.00 C ATOM 877 C LYS A 107 7.684 -1.655 -0.989 1.00 0.00 C ATOM 878 O LYS A 107 7.916 -0.835 -0.102 1.00 0.00 O ATOM 879 CB LYS A 107 6.518 -3.906 -0.619 1.00 0.00 C ATOM 880 CG LYS A 107 7.170 -4.052 0.757 1.00 0.00 C ATOM 881 CD LYS A 107 7.617 -5.494 1.003 1.00 0.00 C ATOM 882 CE LYS A 107 8.072 -5.688 2.450 1.00 0.00 C ATOM 883 NZ LYS A 107 8.582 -7.062 2.654 1.00 0.00 N ATOM 0 H LYS A 107 5.508 -3.193 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 107 5.727 -1.992 -0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.540 -4.387 -0.615 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.122 -4.418 -1.368 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.029 -3.384 0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.465 -3.749 1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.796 -6.176 0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.432 -5.746 0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.851 -4.965 2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.239 -5.499 3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.887 -7.176 3.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.828 -7.747 2.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.390 -7.230 2.021 1.00 0.00 H new ATOM 897 N LYS A 108 8.511 -1.940 -1.983 1.00 0.00 N ATOM 898 CA LYS A 108 9.825 -1.324 -2.065 1.00 0.00 C ATOM 899 C LYS A 108 9.671 0.199 -2.039 1.00 0.00 C ATOM 900 O LYS A 108 10.476 0.898 -1.428 1.00 0.00 O ATOM 901 CB LYS A 108 10.587 -1.843 -3.284 1.00 0.00 C ATOM 902 CG LYS A 108 10.519 -0.842 -4.441 1.00 0.00 C ATOM 903 CD LYS A 108 11.556 0.270 -4.262 1.00 0.00 C ATOM 904 CE LYS A 108 12.570 0.263 -5.408 1.00 0.00 C ATOM 905 NZ LYS A 108 11.939 0.736 -6.661 1.00 0.00 N ATOM 0 H LYS A 108 8.297 -2.590 -2.740 1.00 0.00 H new ATOM 0 HA LYS A 108 10.429 -1.600 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.628 -2.025 -3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.168 -2.798 -3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.693 -1.359 -5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.520 -0.409 -4.494 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.054 1.237 -4.221 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.074 0.139 -3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.417 0.902 -5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.962 -0.744 -5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.649 0.757 -7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.167 0.091 -6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.557 1.692 -6.518 1.00 0.00 H new ATOM 919 N ALA A 109 8.629 0.668 -2.710 1.00 0.00 N ATOM 920 CA ALA A 109 8.387 2.097 -2.816 1.00 0.00 C ATOM 921 C ALA A 109 8.110 2.667 -1.422 1.00 0.00 C ATOM 922 O ALA A 109 8.643 3.714 -1.060 1.00 0.00 O ATOM 923 CB ALA A 109 7.233 2.351 -3.788 1.00 0.00 C ATOM 0 H ALA A 109 7.942 0.083 -3.186 1.00 0.00 H new ATOM 0 HA ALA A 109 9.265 2.606 -3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 109 7.053 3.423 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.490 1.953 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.333 1.858 -3.421 1.00 0.00 H new ATOM 929 N LEU A 110 7.279 1.951 -0.680 1.00 0.00 N ATOM 930 CA LEU A 110 6.924 2.374 0.663 1.00 0.00 C ATOM 931 C LEU A 110 8.174 2.369 1.544 1.00 0.00 C ATOM 932 O LEU A 110 8.400 3.302 2.314 1.00 0.00 O ATOM 933 CB LEU A 110 5.782 1.516 1.211 1.00 0.00 C ATOM 934 CG LEU A 110 4.367 1.942 0.810 1.00 0.00 C ATOM 935 CD1 LEU A 110 3.777 2.912 1.834 1.00 0.00 C ATOM 936 CD2 LEU A 110 4.351 2.522 -0.604 1.00 0.00 C ATOM 0 H LEU A 110 6.841 1.081 -0.983 1.00 0.00 H new ATOM 0 HA LEU A 110 6.547 3.397 0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.937 0.488 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.845 1.516 2.299 1.00 0.00 H new ATOM 0 HG LEU A 110 3.732 1.056 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.772 3.199 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.733 2.429 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.405 3.801 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.335 2.817 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.004 3.394 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.703 1.770 -1.310 1.00 0.00 H new ATOM 948 N GLU A 111 8.954 1.308 1.401 1.00 0.00 N ATOM 949 CA GLU A 111 10.157 1.150 2.201 1.00 0.00 C ATOM 950 C GLU A 111 11.143 2.281 1.906 1.00 0.00 C ATOM 951 O GLU A 111 11.773 2.815 2.819 1.00 0.00 O ATOM 952 CB GLU A 111 10.801 -0.216 1.960 1.00 0.00 C ATOM 953 CG GLU A 111 9.981 -1.333 2.610 1.00 0.00 C ATOM 954 CD GLU A 111 10.583 -2.705 2.305 1.00 0.00 C ATOM 955 OE1 GLU A 111 10.635 -3.048 1.103 1.00 0.00 O ATOM 956 OE2 GLU A 111 10.979 -3.381 3.279 1.00 0.00 O ATOM 0 H GLU A 111 8.777 0.549 0.743 1.00 0.00 H new ATOM 0 HA GLU A 111 9.879 1.202 3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.885 -0.398 0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.813 -0.221 2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.943 -1.180 3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 111 8.954 -1.294 2.246 1.00 0.00 H new ATOM 963 N GLU A 112 11.249 2.613 0.627 1.00 0.00 N ATOM 964 CA GLU A 112 12.122 3.695 0.205 1.00 0.00 C ATOM 965 C GLU A 112 11.761 4.987 0.940 1.00 0.00 C ATOM 966 O GLU A 112 12.639 5.778 1.279 1.00 0.00 O ATOM 967 CB GLU A 112 12.058 3.889 -1.312 1.00 0.00 C ATOM 968 CG GLU A 112 12.906 2.842 -2.036 1.00 0.00 C ATOM 969 CD GLU A 112 14.352 3.320 -2.193 1.00 0.00 C ATOM 970 OE1 GLU A 112 14.980 3.583 -1.145 1.00 0.00 O ATOM 971 OE2 GLU A 112 14.795 3.412 -3.358 1.00 0.00 O ATOM 0 H GLU A 112 10.745 2.152 -0.130 1.00 0.00 H new ATOM 0 HA GLU A 112 13.148 3.430 0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.023 3.819 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.410 4.888 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.887 1.905 -1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.478 2.638 -3.017 1.00 0.00 H new ATOM 978 N ALA A 113 10.467 5.161 1.164 1.00 0.00 N ATOM 979 CA ALA A 113 9.978 6.352 1.837 1.00 0.00 C ATOM 980 C ALA A 113 10.171 6.197 3.347 1.00 0.00 C ATOM 981 O ALA A 113 10.377 7.182 4.054 1.00 0.00 O ATOM 982 CB ALA A 113 8.514 6.587 1.458 1.00 0.00 C ATOM 0 H ALA A 113 9.742 4.497 0.891 1.00 0.00 H new ATOM 0 HA ALA A 113 10.543 7.229 1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.146 7.480 1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.434 6.721 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.917 5.727 1.762 1.00 0.00 H new ATOM 988 N GLY A 114 10.100 4.952 3.795 1.00 0.00 N ATOM 989 CA GLY A 114 10.279 4.653 5.205 1.00 0.00 C ATOM 990 C GLY A 114 8.941 4.320 5.870 1.00 0.00 C ATOM 991 O GLY A 114 8.806 4.425 7.087 1.00 0.00 O ATOM 0 H GLY A 114 9.921 4.139 3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.964 3.813 5.318 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.736 5.506 5.706 1.00 0.00 H new ATOM 995 N ALA A 115 7.987 3.927 5.040 1.00 0.00 N ATOM 996 CA ALA A 115 6.664 3.581 5.530 1.00 0.00 C ATOM 997 C ALA A 115 6.604 2.077 5.807 1.00 0.00 C ATOM 998 O ALA A 115 7.368 1.306 5.231 1.00 0.00 O ATOM 999 CB ALA A 115 5.610 4.030 4.516 1.00 0.00 C ATOM 0 H ALA A 115 8.104 3.840 4.030 1.00 0.00 H new ATOM 0 HA ALA A 115 6.455 4.097 6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.617 3.770 4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.675 5.109 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.786 3.531 3.563 1.00 0.00 H new ATOM 1005 N GLU A 116 5.688 1.706 6.691 1.00 0.00 N ATOM 1006 CA GLU A 116 5.520 0.310 7.053 1.00 0.00 C ATOM 1007 C GLU A 116 4.395 -0.320 6.233 1.00 0.00 C ATOM 1008 O GLU A 116 3.254 0.135 6.283 1.00 0.00 O ATOM 1009 CB GLU A 116 5.255 0.161 8.552 1.00 0.00 C ATOM 1010 CG GLU A 116 5.298 -1.309 8.973 1.00 0.00 C ATOM 1011 CD GLU A 116 5.301 -1.443 10.498 1.00 0.00 C ATOM 1012 OE1 GLU A 116 6.291 -0.981 11.106 1.00 0.00 O ATOM 1013 OE2 GLU A 116 4.314 -2.005 11.020 1.00 0.00 O ATOM 0 H GLU A 116 5.055 2.349 7.167 1.00 0.00 H new ATOM 0 HA GLU A 116 6.447 -0.217 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.999 0.726 9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.281 0.585 8.797 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.437 -1.835 8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 116 6.189 -1.783 8.561 1.00 0.00 H new ATOM 1020 N VAL A 117 4.755 -1.360 5.493 1.00 0.00 N ATOM 1021 CA VAL A 117 3.793 -2.045 4.647 1.00 0.00 C ATOM 1022 C VAL A 117 3.520 -3.439 5.218 1.00 0.00 C ATOM 1023 O VAL A 117 4.301 -3.949 6.019 1.00 0.00 O ATOM 1024 CB VAL A 117 4.297 -2.080 3.203 1.00 0.00 C ATOM 1025 CG1 VAL A 117 3.802 -3.334 2.479 1.00 0.00 C ATOM 1026 CG2 VAL A 117 3.889 -0.814 2.449 1.00 0.00 C ATOM 0 H VAL A 117 5.699 -1.744 5.462 1.00 0.00 H new ATOM 0 HA VAL A 117 2.845 -1.507 4.634 1.00 0.00 H new ATOM 0 HB VAL A 117 5.386 -2.117 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 117 4.175 -3.334 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 117 4.166 -4.221 2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.712 -3.342 2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.260 -0.865 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.802 -0.732 2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 117 4.314 0.058 2.946 1.00 0.00 H new ATOM 1036 N GLU A 118 2.408 -4.014 4.783 1.00 0.00 N ATOM 1037 CA GLU A 118 2.037 -5.349 5.219 1.00 0.00 C ATOM 1038 C GLU A 118 1.684 -6.223 4.013 1.00 0.00 C ATOM 1039 O GLU A 118 0.932 -5.799 3.135 1.00 0.00 O ATOM 1040 CB GLU A 118 0.880 -5.299 6.217 1.00 0.00 C ATOM 1041 CG GLU A 118 0.358 -6.704 6.526 1.00 0.00 C ATOM 1042 CD GLU A 118 -0.558 -6.693 7.750 1.00 0.00 C ATOM 1043 OE1 GLU A 118 -1.540 -5.920 7.717 1.00 0.00 O ATOM 1044 OE2 GLU A 118 -0.256 -7.456 8.692 1.00 0.00 O ATOM 0 H GLU A 118 1.752 -3.580 4.133 1.00 0.00 H new ATOM 0 HA GLU A 118 2.892 -5.794 5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.211 -4.820 7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 118 0.073 -4.689 5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.186 -7.091 5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.197 -7.377 6.702 1.00 0.00 H new ATOM 1051 N VAL A 119 2.242 -7.424 4.008 1.00 0.00 N ATOM 1052 CA VAL A 119 1.997 -8.358 2.922 1.00 0.00 C ATOM 1053 C VAL A 119 1.136 -9.513 3.432 1.00 0.00 C ATOM 1054 O VAL A 119 1.509 -10.197 4.385 1.00 0.00 O ATOM 1055 CB VAL A 119 3.326 -8.823 2.323 1.00 0.00 C ATOM 1056 CG1 VAL A 119 3.101 -9.883 1.244 1.00 0.00 C ATOM 1057 CG2 VAL A 119 4.122 -7.638 1.768 1.00 0.00 C ATOM 0 H VAL A 119 2.863 -7.772 4.738 1.00 0.00 H new ATOM 0 HA VAL A 119 1.445 -7.872 2.118 1.00 0.00 H new ATOM 0 HB VAL A 119 3.912 -9.277 3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 119 4.062 -10.196 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.595 -10.744 1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.486 -9.466 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 119 5.062 -7.996 1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.542 -7.143 0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.329 -6.931 2.571 1.00 0.00 H new ATOM 1067 N LYS A 120 -0.001 -9.699 2.776 1.00 0.00 N ATOM 1068 CA LYS A 120 -0.922 -10.756 3.157 1.00 0.00 C ATOM 1069 C LYS A 120 -1.275 -11.587 1.922 1.00 0.00 C ATOM 1070 O LYS A 120 -0.842 -11.274 0.814 1.00 0.00 O ATOM 1071 CB LYS A 120 -2.139 -10.172 3.876 1.00 0.00 C ATOM 1072 CG LYS A 120 -2.100 -10.498 5.371 1.00 0.00 C ATOM 1073 CD LYS A 120 -3.384 -10.036 6.066 1.00 0.00 C ATOM 1074 CE LYS A 120 -3.065 -9.190 7.299 1.00 0.00 C ATOM 1075 NZ LYS A 120 -4.309 -8.827 8.015 1.00 0.00 N ATOM 1076 OXT LYS A 120 -2.040 -12.600 2.148 1.00 0.00 O ATOM 0 H LYS A 120 -0.305 -9.135 1.983 1.00 0.00 H new ATOM 0 HA LYS A 120 -0.453 -11.432 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -2.165 -9.091 3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -3.053 -10.572 3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -1.973 -11.572 5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.239 -10.013 5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -3.990 -9.457 5.370 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -3.976 -10.903 6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -2.403 -9.743 7.965 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -2.534 -8.286 7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -4.074 -8.253 8.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -4.927 -8.281 7.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -4.801 -9.692 8.317 1.00 0.00 H new